methyl (2S)-2-[[4-chloranyl-2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-chloranyl-2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-chloro-2-(2-oxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-chloro-2-(2-ketopyrrolidino)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)Cl)N2CCCC2=O

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)Cl)N2CCCC2=O

InChI

InChI=1S/C17H21ClN2O4S/c1-24-17(23)13(7-9-25-2)19-16(22)12-6-5-11(18)10-14(12)20-8-3-4-15(20)21/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,19,22)/t13-/m0/s1